N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

C18H22N4O2S2 — CID 51315470

IUPACN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyUBGKPGBCPHQAFT-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (PubChem CID 51315470) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
PubChem CID51315470
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyUBGKPGBCPHQAFT-UHFFFAOYSA-N
XLogP2.29
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (CID 51315470) is N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The InChIKey is UBGKPGBCPHQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide has a molecular weight of 390.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 51315470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).